SCHEMBL5377818

SCHEMBL5377818

CCc1ccc(C(O)c2c(C)cc(C)nc2OCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
ALOX5 P09917 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MCL1 Q07820 1/20 0.35
BAK1 Q16611 1/20 0.35
CHRM4 P08173 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5381397 0.87 CYP1A2 (0.45) TSHRLMNAHPGDHTTALDH1A1
SCHEMBL3187280 0.84 LMNA (0.41) TSHRLMNAHPGDHTTALDH1A1
SCHEMBL5377393 0.84 ALDH1A1 (0.38) TSHRLMNAHPGDHTTALDH1A1
SCHEMBL4294561 0.81 LMNA (0.42) TSHRLMNAHPGDHTTALDH1A1
SCHEMBL154396 0.73 L3MBTL1 (0.47) TSHRLMNAHPGDHTTALDH1A1
SCHEMBL5377506 0.71 STAT3 (0.39) HTTMAPTALOX5
SCHEMBL18526459 0.71 KMT2A (0.49) LMNAHPGDALDH1A1L3MBTL1MAPT
SCHEMBL15814471 0.71 L3MBTL1 (0.48) TSHRLMNAHPGDHTTALDH1A1
SCHEMBL30535930 0.71 L3MBTL1 (0.48) TSHRLMNAHPGDHTTALDH1A1
SCHEMBL3223738 0.70 SMN1; SMN2 (0.39) MAPK1L3MBTL1MAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271153-B2 Treating diseases associated with hyperglycemia such as diabetes; SGLT2 (sodium/glucose cotransporter 2) inhibitor; 3-(4-Ethylbenzyl)-2-(beta-D-glucopyranosyloxy)-4,6-dimethyl-pyridine for example KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-09-18 US disclosed
US-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-03-03 US disclosed
EP-1405859-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-04-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor GPR119, NPR3, SLC5A2 TSHR 1205/4885LMNA 2564/4885HPGD 242/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.